N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide

C9H17N2O2+ — CID 20740587

IUPACN-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide
SMILESCC(=O)N(C)CC[N+]1=C(C)OCC1
InChIInChI=1S/C9H17N2O2/c1-8(12)10(3)4-5-11-6-7-13-9(11)2/h4-7H2,1-3H3/q+1
InChIKeyMVYCDTICLZARTA-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.07
Rot. Bonds3

About N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide

N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide (PubChem CID 20740587) has the molecular formula C9H17N2O2+ and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide
PubChem CID20740587
Molecular FormulaC9H17N2O2+
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide
SMILESCC(=O)N(C)CC[N+]1=C(C)OCC1
InChIInChI=1S/C9H17N2O2/c1-8(12)10(3)4-5-11-6-7-13-9(11)2/h4-7H2,1-3H3/q+1
InChIKeyMVYCDTICLZARTA-UHFFFAOYSA-N
XLogP-0.07
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523824
N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101603
N-ethyl-N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]propanamide
CID 57810703
N-[2-[acetyl-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]amino]ethyl]-N-methylacetamide
CID 59243767
N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide
CID 59438957
N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 59773746
Ethyl 5-ethoxy-3,6-dihydropyrazine-1(2H)-carboxylate
CID 70598602
ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 123525824
1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone
CID 126501853
1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone
CID 134394400
N-[3-[acetyl-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]amino]propyl]-N-methylbutanamide
CID 141673395
N-[2-[2-ethoxyethyl(methyl)amino]ethyl]-N-methylacetamide
CID 144229445

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide (CID 20740587) is N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide is CC(=O)N(C)CC[N+]1=C(C)OCC1.
What is the InChIKey of N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide?
The InChIKey is MVYCDTICLZARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O2/c1-8(12)10(3)4-5-11-6-7-13-9(11)2/h4-7H2,1-3H3/q+1.
What are the key properties of N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide?
N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide has a molecular weight of 185.25 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]acetamide is sourced from PubChem (CID 20740587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).